7-butyl-3,9-dimethyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione

Systemtic Name: 7-butyl-3,9-dimethyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 7-butyl-3,9-dimethyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 7-butyl-3,9-dimethyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 7-butyl-3,9-dimethyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 7-butyl-3,9-dimethyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C13H19N6O2+ MolecularWeight: 291.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3)C)N(C1=O)C

InChI

InChI=1S/C13H18N6O2/c1-4-5-6-18-11(20)9-10(17(3)13(18)21)14-12-16-15-8(2)7-19(9)12/h4-7H2,1-3H3,(H,14,16,20)/p+1